SCHEMBL29169377

SCHEMBL29169377

COC(=O)c1cc(S)ccc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.49
GAA P10253 3/20 0.47
EGFR P00533 1/20 0.46
KMT2A Q03164 2/20 0.45
MAPT P10636 6/20 0.45
HSD17B10 Q99714 3/20 0.45
MAPK1 P28482 2/20 0.45
TSHR P16473 1/20 0.45
HPGD P15428 6/20 0.45
LMNA P02545 2/20 0.45
POLB P06746 1/20 0.45
NPSR1 Q6W5P4 3/20 0.44
HTT P42858 2/20 0.44
HSP90AA1 P07900 2/20 0.44
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20139900 0.83 ALDH1A1 (0.53) KDM4EMAPTHSD17B10MAPK1HPGD
SCHEMBL670119 0.83 MAPT (0.53) KDM4EGAAKMT2AMAPTTSHR
SCHEMBL1505444 0.81 HSP90AA1 (0.57) KDM4EGAAEGFRKMT2AMAPT
SCHEMBL5169870 0.79 MAPT (0.64) KDM4EGAAKMT2AMAPTHSD17B10
SCHEMBL29678875 0.79 MAPT (0.64) KDM4EGAAKMT2AMAPTHSD17B10
SCHEMBL23914174 0.79 MAPT (0.43) KDM4EGAAMAPTHSD17B10TSHR
Methyl 2,5-Dimethoxybenzoate SCHEMBL2091289 0.79 MAPT (0.66) KDM4EGAAKMT2AMAPTHSD17B10
SCHEMBL7619139 0.79 CA12 (0.67) KDM4EGAAEGFRKMT2AMAPT
SCHEMBL31009365 0.79 CA12 (0.67) KDM4EGAAEGFRKMT2AMAPT
SCHEMBL1095516 0.78 MEN1 (0.64) GAAKMT2AMAPTLMNANPSR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117658749-B Method for preparing aryl carboxylic acid by reacting copper compound catalyzed aryl sulfonium salt with carbon dioxide NANKAI UNIVERSITY (CN) 2026-05-26 CN disclosed
CN-117658749-A Method for preparing aryl carboxylic acid by reacting copper compound catalyzed aryl sulfonium salt with carbon dioxide 南开大学 2024-03-08 CN disclosed